N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide

C22H32N4O3 — CID 153424145

IUPACN-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCC3CC(C4NOC(C5CCC5)N4)CCC32)ccc1=O
InChIInChI=1S/C22H32N4O3/c1-26-12-16(7-10-19(26)27)21(28)23-18-9-6-14-11-15(5-8-17(14)18)20-24-22(29-25-20)13-3-2-4-13/h7,10,12-15,17-18,20,22,24-25H,2-6,8-9,11H2,1H3,(H,23,28)/t14?,15?,17?,18-,20?,22?/m1/s1
InChIKeyKXEWACOIUOOHSA-IMUCRDMISA-N
MW400.52 g/mol
LogP1.89
Rot. Bonds4

About N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 153424145) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID153424145
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCC3CC(C4NOC(C5CCC5)N4)CCC32)ccc1=O
InChIInChI=1S/C22H32N4O3/c1-26-12-16(7-10-19(26)27)21(28)23-18-9-6-14-11-15(5-8-17(14)18)20-24-22(29-25-20)13-3-2-4-13/h7,10,12-15,17-18,20,22,24-25H,2-6,8-9,11H2,1H3,(H,23,28)/t14?,15?,17?,18-,20?,22?/m1/s1
InChIKeyKXEWACOIUOOHSA-IMUCRDMISA-N
XLogP1.89
TPSA84.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 133265898
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-diazinane-4-carboxamide
CID 153424105
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methyl-1,3-oxazolidine-2-carboxamide
CID 147742193
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
N-[(4S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[3.2.0]heptanyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 138626920
2,3-dimethyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazolidin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]imidazolidine-4-carboxamide
CID 153195075
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 131895570
4-chloro-N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)benzamide
CID 12596837
5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one
CID 95139212
1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide
CID 153424196
1-methyl-6-oxo-N-[(5R)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-yl]pyridine-3-carboxamide
CID 97007354

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 153424145) is N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)N[C@@H]2CCC3CC(C4NOC(C5CCC5)N4)CCC32)ccc1=O.
What is the InChIKey of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is KXEWACOIUOOHSA-IMUCRDMISA-N. The full InChI is InChI=1S/C22H32N4O3/c1-26-12-16(7-10-19(26)27)21(28)23-18-9-6-14-11-15(5-8-17(14)18)20-24-22(29-25-20)13-3-2-4-13/h7,10,12-15,17-18,20,22,24-25H,2-6,8-9,11H2,1H3,(H,23,28)/t14?,15?,17?,18-,20?,22?/m1/s1.
What are the key properties of N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 153424145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).